Geometry & MOs

Info

ID:	384680
PubChem CID:	134977451
Reduced:	IPSeN2C20H30 (1)
Stoich.:	ABCD2E20F30 (1)
Weight, g/mol:	531.146407
ΔH_f, kcal/mol:	1.44
Dipole, Da:	7.23
IP(EA), eV:	-8.41(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,6S)-6-(4-cyanophenyl)-1-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCC[Se]CCP(C)(CCC1=CC=NC=C1)(CCC2=CC=NC=C2)I

DOS

IR

Vibrations